Evaluation of the Boys function using analytical relations

Guseinov I. I., Mamedov B. A.

JOURNAL OF MATHEMATICAL CHEMISTRY, cilt.40, sa.2, ss.179-183, 2006 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Sayı: 2
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1007/s10910-005-9023-3
  • Dergi Adı: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.179-183
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Hayır

Özet

The analytical relations for Boys function F-m (x) are presented. These relations are useful in the fast and more accurate calculations of multicenter molecular integrals over Gaussian type orbitals (GTOs). The formulas obtained are numerically stable for all values of m and x.